Abstract
We describe the adsorption and thermal evolution of nitrogen species on the hydrogenated diamond(001) surface impacted by microwave N2 plasma, as studied by X-ray photoelectron spectroscopy, temperature-programmed desorption, and density functional theory simulations. The experiment and theory are in accord with the formation of two adsorption states of nitrogen species; that is, a horizontal molecular state, h-N2(ad), spanning over two substrate dimers, and a vertical state, v-N2(ad), centered at one substrate dimer. Upon annealing the as-nitrided substrate up to 1000 °C, we find the loss of surface nitrogen species, as resulted from the h-N2(ad) to v-N2(ad) conversion accompanied by the desorption of v-N2(ad) into gaseous N2. While hydrogenated diamond surfaces are generally inert to chemical modification, our findings demonstrate the role that surface hydrogenation plays in stabilizing nitrogen species adsorbed on diamond(001) by nitrogen plasma.
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